2-anilino-4-[2-(1H-imidazol-5-yl)ethylamino]pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile

C17H15N9 — CID 24779678

IUPAC2-anilino-4-[2-(1H-imidazol-5-yl)ethylamino]pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
SMILESN#Cc1cnn2c(NCCc3cnc[nH]3)nc(Nc3ccccc3)nc12
InChIInChI=1S/C17H15N9/c18-8-12-9-22-26-15(12)24-16(23-13-4-2-1-3-5-13)25-17(26)20-7-6-14-10-19-11-21-14/h1-5,9-11H,6-7H2,(H,19,21)(H2,20,23,24,25)
InChIKeyIWUUKHQIKFHWIW-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.12
Rot. Bonds6

About 2-anilino-4-[2-(1H-imidazol-5-yl)ethylamino]pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile

2-anilino-4-[2-(1H-imidazol-5-yl)ethylamino]pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile (PubChem CID 24779678) has the molecular formula C17H15N9 and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-anilino-4-[2-(1H-imidazol-5-yl)ethylamino]pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile.

Molecular Properties

Compound Name2-anilino-4-[2-(1H-imidazol-5-yl)ethylamino]pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
PubChem CID24779678
Molecular FormulaC17H15N9
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name2-anilino-4-[2-(1H-imidazol-5-yl)ethylamino]pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
SMILESN#Cc1cnn2c(NCCc3cnc[nH]3)nc(Nc3ccccc3)nc12
InChIInChI=1S/C17H15N9/c18-8-12-9-22-26-15(12)24-16(23-13-4-2-1-3-5-13)25-17(26)20-7-6-14-10-19-11-21-14/h1-5,9-11H,6-7H2,(H,19,21)(H2,20,23,24,25)
InChIKeyIWUUKHQIKFHWIW-UHFFFAOYSA-N
XLogP2.12
TPSA119.61 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-4-[2-(1H-imidazol-5-yl)ethylamino]pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile?
The IUPAC name of 2-anilino-4-[2-(1H-imidazol-5-yl)ethylamino]pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile (CID 24779678) is 2-anilino-4-[2-(1H-imidazol-5-yl)ethylamino]pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile.
What is the SMILES notation for 2-anilino-4-[2-(1H-imidazol-5-yl)ethylamino]pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile?
The canonical SMILES for 2-anilino-4-[2-(1H-imidazol-5-yl)ethylamino]pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile is N#Cc1cnn2c(NCCc3cnc[nH]3)nc(Nc3ccccc3)nc12.
What is the InChIKey of 2-anilino-4-[2-(1H-imidazol-5-yl)ethylamino]pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile?
The InChIKey is IWUUKHQIKFHWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N9/c18-8-12-9-22-26-15(12)24-16(23-13-4-2-1-3-5-13)25-17(26)20-7-6-14-10-19-11-21-14/h1-5,9-11H,6-7H2,(H,19,21)(H2,20,23,24,25).
What are the key properties of 2-anilino-4-[2-(1H-imidazol-5-yl)ethylamino]pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile?
2-anilino-4-[2-(1H-imidazol-5-yl)ethylamino]pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile has a molecular weight of 345.37 g/mol, XLogP of 2.12, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-4-[2-(1H-imidazol-5-yl)ethylamino]pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile is sourced from PubChem (CID 24779678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).